2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole

C42H28N2 — CID 90348691

IUPAC2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2-c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C42H28N2/c1-4-15-29(16-5-1)32-27-28-36-34-22-11-13-26-39(34)44(31-19-8-3-9-20-31)42(36)40(32)37-24-14-23-35-33-21-10-12-25-38(33)43(41(35)37)30-17-6-2-7-18-30/h1-28H
InChIKeyYBBCGXHQIHGGKC-UHFFFAOYSA-N
MW560.70 g/mol
LogP11.21
Rot. Bonds4

About 2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole

2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole (PubChem CID 90348691) has the molecular formula C42H28N2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole.

Molecular Properties

Compound Name2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole
PubChem CID90348691
Molecular FormulaC42H28N2
Molecular Weight560.70 g/mol
Exact Mass560.23
IUPAC Name2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2-c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C42H28N2/c1-4-15-29(16-5-1)32-27-28-36-34-22-11-13-26-39(34)44(31-19-8-3-9-20-31)42(36)40(32)37-24-14-23-35-33-21-10-12-25-38(33)43(41(35)37)30-17-6-2-7-18-30/h1-28H
InChIKeyYBBCGXHQIHGGKC-UHFFFAOYSA-N
XLogP11.21
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 511.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-2,9-diphenylcarbazole
CID 90321464
3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole
CID 90321729
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole
CID 171438087
2,9-diphenyl-1-(3-phenyl-2-benzofuran-1-yl)carbazole
CID 156553394
4-(4-phenylphenyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene
CID 118564873
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576
12-methyl-1,11-diphenylindolo[2,3-a]carbazole
CID 176615335
1-(3-methyl-4-phenylphenyl)-9-phenylcarbazole
CID 146397471
1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole
CID 155335011
4-phenyl-1,4-diazaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21,23,25(32),26,28,30-pentadecaene
CID 126699842
1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole
CID 167187306
8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-phenyl-8,17-diazahexacyclo[13.11.0.02,7.09,14.016,24.018,23]hexacosa-1(15),2,4,6,9,11,13,16(24),18,20,22,25-dodecaene
CID 118363438

Frequently Asked Questions

What is the IUPAC name of 2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole?
The IUPAC name of 2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole (CID 90348691) is 2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole.
What is the SMILES notation for 2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole?
The canonical SMILES for 2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole is c1ccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2-c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of 2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole?
The InChIKey is YBBCGXHQIHGGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2/c1-4-15-29(16-5-1)32-27-28-36-34-22-11-13-26-39(34)44(31-19-8-3-9-20-31)42(36)40(32)37-24-14-23-35-33-21-10-12-25-38(33)43(41(35)37)30-17-6-2-7-18-30/h1-28H.
What are the key properties of 2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole?
2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole has a molecular weight of 560.70 g/mol, XLogP of 11.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole is sourced from PubChem (CID 90348691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).